[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] cyclohexanecarboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2CCCCC2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2CCCCC2

InChI

InChI=1S/C20H26N2O4/c1-2-25-18-11-9-17(10-12-18)22(14-6-13-21)19(23)15-26-20(24)16-7-4-3-5-8-16/h9-12,16H,2-8,14-15H2,1H3